2-(4-fluorophenoxy)-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide

C17H17FN2O3 — CID 9395401

IUPAC2-(4-fluorophenoxy)-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide
SMILESC[C@@H]1C[C@H]1c1ccc(/C=N\NC(=O)COc2ccc(F)cc2)o1
InChIInChI=1S/C17H17FN2O3/c1-11-8-15(11)16-7-6-14(23-16)9-19-20-17(21)10-22-13-4-2-12(18)3-5-13/h2-7,9,11,15H,8,10H2,1H3,(H,20,21)/b19-9-/t11-,15-/m1/s1
InChIKeySFKPHBIBITYBKQ-HZZRQHDUSA-N
MW316.33 g/mol
LogP3.07
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide

2-(4-fluorophenoxy)-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide (PubChem CID 9395401) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide
PubChem CID9395401
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name2-(4-fluorophenoxy)-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide
SMILESC[C@@H]1C[C@H]1c1ccc(/C=N\NC(=O)COc2ccc(F)cc2)o1
InChIInChI=1S/C17H17FN2O3/c1-11-8-15(11)16-7-6-14(23-16)9-19-20-17(21)10-22-13-4-2-12(18)3-5-13/h2-7,9,11,15H,8,10H2,1H3,(H,20,21)/b19-9-/t11-,15-/m1/s1
InChIKeySFKPHBIBITYBKQ-HZZRQHDUSA-N
XLogP3.07
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide
CID 9393088
2-(2-cyanophenoxy)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide
CID 9395075
N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-(phenoxymethyl)benzamide
CID 9391848
2-(4-fluorophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5368979
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6893389
tert-butyl N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]carbamate
CID 9391101
N-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide
CID 913599
3,4-dimethoxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
CID 9391704
N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 9396397
N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5441397
4-ethoxy-3-methoxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
CID 9396092
N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 19169667

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide (CID 9395401) is 2-(4-fluorophenoxy)-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide is C[C@@H]1C[C@H]1c1ccc(/C=N\NC(=O)COc2ccc(F)cc2)o1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide?
The InChIKey is SFKPHBIBITYBKQ-HZZRQHDUSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-11-8-15(11)16-7-6-14(23-16)9-19-20-17(21)10-22-13-4-2-12(18)3-5-13/h2-7,9,11,15H,8,10H2,1H3,(H,20,21)/b19-9-/t11-,15-/m1/s1.
What are the key properties of 2-(4-fluorophenoxy)-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide?
2-(4-fluorophenoxy)-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide has a molecular weight of 316.33 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 9395401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).